2GD4
Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 220.263, 60.588, 156.174 |
| Unit cell angles | 90.00, 113.14, 90.00 |
Refinement procedure
| Resolution | 36.900 - 3.300 |
| Rwork | 0.247 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1E03 and 1F0S |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.923 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.175 | 0.476 |
| Total number of observations | 7380 | |
| Number of reflections | 27231 | 3981 |
| <I/σ(I)> | 2.1 | 0.8 |
| Completeness [%] | 94.6 | 95.1 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 294 | 20% PEG 3350, 200mM Calcium Acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
